基于UHPLC-QTOF/MSE代谢组学方法研究文冠果不同部位化学成分

Rapid identification of the different constituents in different parts of Xanthoceras sorbifolia Bunge By UHPLC-QTOF/MSE combining with metabonomics

目的采用超高效液相色谱-飞行时间质谱(UHPLC-QTOF/MSE)技术,建立文冠果不同部位化学成分的快速识别模式,并结合代谢组学方法分析识别文冠果的木、根和叶3个部位之间化学成分的特征差异标志物,探讨文冠果的根和叶能否替代木发挥治疗作用。方法采用基于UHPLC-QTOF/MSE的代谢组学技术对文冠果的木、根和叶3个部位的化学成分进行研究。结果从文冠果不同部位中共鉴定出57个化学成分,经主成分分析和偏最小二乘法判别分析,文冠果的木、根和叶被明显分为3类,表明文冠果不同部位之间化学成分差异显著,识别出特征差异标志物15个。其中,木中具有含量较高的黄酮苷元类化合物,是其具有活血、抗炎、免疫调节和抗氧化等临床疗效的物质基础,但这类化合物在根和叶中含量均较低,根主要含有三萜皂苷类化合物,叶主要含有黄酮苷类化合物。结论文冠果的根和叶无法替代木的药用价值,本文建立的分析方法为文冠果不同部位的快速鉴定、质量控制与临床合理应用提供了基础。

Objective To establish a method for the fast identification of chemical constituents in different parts of Xanthoceras sorbifolia Bunge by ultra performance liquid chromatography/quadrupole time-of-fight mass spectrometry with MSE data-acquistion mode(HUPLC-QTOF/MSE)-based metabonomics and explore a part for replacing the wood of Xanthoceras sorbifolia Bunge.Methods In this study,an UHPLC-QTOF/MSE-based metabolomics approach was established to investigate the metabolic profiles of wood,root and leaves of Xanthoceras sorbifolia Bunge.Results A total of 57 major compounds were identified in three parts of Xanthoceras sorbifolia Bunge.The UHPLC-QTOF/MSE data was subjected to principal component analysis(PCA)and partial least squared discrimination analysis(PLS-DA)to find the potential characteristic components of the three parts of Xanthoceras sorbifolia Bunge in a quick way.The significant differences in three groups of 15 potential markers were found.The results showed that the levels of flavonoids without glycosides were the highest in the wood of Xanthoceras sorbifolia Bunge,the levels of triterpenes were the highest in the root of Xanthoceras sorbifolia Bunge,the levels of flavonoid glycosides were the highest in the leaves of Xanthoceras sorbifolia Bunge.Conclusion The chemical constituents in three parts of Xanthoceras sorbifolia Bunge were obviously different.Moreover,the present study provides the basis for rapidly qualitative analysis of constituents and quantity control of Xanthoceras sorbifolia Bunge.